methyl (2S)-2-benzamido-2-methylpentanoate

C14H19NO3 — CID 141268711

IUPACmethyl (2S)-2-benzamido-2-methylpentanoate
SMILESCCC[C@](C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C14H19NO3/c1-4-10-14(2,13(17)18-3)15-12(16)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,16)/t14-/m0/s1
InChIKeyOQUVJENXKMYSOW-AWEZNQCLSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds5

About methyl (2S)-2-benzamido-2-methylpentanoate

methyl (2S)-2-benzamido-2-methylpentanoate (PubChem CID 141268711) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl (2S)-2-benzamido-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-benzamido-2-methylpentanoate
PubChem CID141268711
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl (2S)-2-benzamido-2-methylpentanoate
SMILESCCC[C@](C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C14H19NO3/c1-4-10-14(2,13(17)18-3)15-12(16)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,16)/t14-/m0/s1
InChIKeyOQUVJENXKMYSOW-AWEZNQCLSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 102407675
methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate
CID 55670206
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-benzamido-2-methylpentanoate?
The IUPAC name of methyl (2S)-2-benzamido-2-methylpentanoate (CID 141268711) is methyl (2S)-2-benzamido-2-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-benzamido-2-methylpentanoate?
The canonical SMILES for methyl (2S)-2-benzamido-2-methylpentanoate is CCC[C@](C)(NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-benzamido-2-methylpentanoate?
The InChIKey is OQUVJENXKMYSOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-10-14(2,13(17)18-3)15-12(16)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,16)/t14-/m0/s1.
What are the key properties of methyl (2S)-2-benzamido-2-methylpentanoate?
methyl (2S)-2-benzamido-2-methylpentanoate has a molecular weight of 249.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-benzamido-2-methylpentanoate is sourced from PubChem (CID 141268711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).